azetidin-1-yl-(4-ethyl-1,3-thiazol-5-yl)methanone

C9H12N2OS — CID 127002356

IUPACazetidin-1-yl-(4-ethyl-1,3-thiazol-5-yl)methanone
SMILESCCc1ncsc1C(=O)N1CCC1
InChIInChI=1S/C9H12N2OS/c1-2-7-8(13-6-10-7)9(12)11-4-3-5-11/h6H,2-5H2,1H3
InChIKeySQBSAJORWMVQPR-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.55
Rot. Bonds2

About azetidin-1-yl-(4-ethyl-1,3-thiazol-5-yl)methanone

azetidin-1-yl-(4-ethyl-1,3-thiazol-5-yl)methanone (PubChem CID 127002356) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is azetidin-1-yl-(4-ethyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Nameazetidin-1-yl-(4-ethyl-1,3-thiazol-5-yl)methanone
PubChem CID127002356
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Nameazetidin-1-yl-(4-ethyl-1,3-thiazol-5-yl)methanone
SMILESCCc1ncsc1C(=O)N1CCC1
InChIInChI=1S/C9H12N2OS/c1-2-7-8(13-6-10-7)9(12)11-4-3-5-11/h6H,2-5H2,1H3
InChIKeySQBSAJORWMVQPR-UHFFFAOYSA-N
XLogP1.55
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethyl-1,3-thiazol-5-yl)-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129006466
4-ethyl-N-hydroxy-1,3-thiazole-5-carboxamide
CID 130696117
[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-[4-(methoxymethyl)-1,3-thiazol-5-yl]methanone
CID 166245568
azepan-1-yl-[4-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 84556923
[4-(4-ethyl-1,3-thiazole-5-carbonyl)-3-methylpiperazin-1-yl]-(2-methylpyrimidin-4-yl)methanone
CID 166398308
(7,7-dimethyl-1,1-dioxo-1,4-thiazepan-4-yl)-[4-(methoxymethyl)-1,3-thiazol-5-yl]methanone
CID 146086971
[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,4-diazepan-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 47537838
[4-(hydroxymethyl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 60957245
[3-(hydroxymethyl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 43589511
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-methyl-1,3-thiazol-5-yl)methanone
CID 47281792
4-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxylic acid
CID 117214301
4-(4-methyl-1,3-thiazole-5-carbonyl)piperazine-1-sulfonamide
CID 61130893

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-(4-ethyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of azetidin-1-yl-(4-ethyl-1,3-thiazol-5-yl)methanone (CID 127002356) is azetidin-1-yl-(4-ethyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for azetidin-1-yl-(4-ethyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for azetidin-1-yl-(4-ethyl-1,3-thiazol-5-yl)methanone is CCc1ncsc1C(=O)N1CCC1.
What is the InChIKey of azetidin-1-yl-(4-ethyl-1,3-thiazol-5-yl)methanone?
The InChIKey is SQBSAJORWMVQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-2-7-8(13-6-10-7)9(12)11-4-3-5-11/h6H,2-5H2,1H3.
What are the key properties of azetidin-1-yl-(4-ethyl-1,3-thiazol-5-yl)methanone?
azetidin-1-yl-(4-ethyl-1,3-thiazol-5-yl)methanone has a molecular weight of 196.27 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-(4-ethyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 127002356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).